[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride

C26H19F6P — CID 160794624

IUPAC[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride
SMILESFC(F)(F)C(F)(F)c1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C26H19F5P.FH/c27-25(28,26(29,30)31)23-18-10-11-19-24(23)32(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-19H;1H/q+1;/p-1
InChIKeySCGVBNYIZGLFME-UHFFFAOYSA-M
MW476.40 g/mol
LogP2.96
Rot. Bonds5

About [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride

[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride (PubChem CID 160794624) has the molecular formula C26H19F6P and a molecular weight of 476.40 g/mol. Its IUPAC name is [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride.

Molecular Properties

Compound Name[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride
PubChem CID160794624
Molecular FormulaC26H19F6P
Molecular Weight476.40 g/mol
Exact Mass476.11
IUPAC Name[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride
SMILESFC(F)(F)C(F)(F)c1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C26H19F5P.FH/c27-25(28,26(29,30)31)23-18-10-11-19-24(23)32(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-19H;1H/q+1;/p-1
InChIKeySCGVBNYIZGLFME-UHFFFAOYSA-M
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride?
The IUPAC name of [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride (CID 160794624) is [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride.
What is the SMILES notation for [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride?
The canonical SMILES for [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride is FC(F)(F)C(F)(F)c1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[F-].
What is the InChIKey of [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride?
The InChIKey is SCGVBNYIZGLFME-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H19F5P.FH/c27-25(28,26(29,30)31)23-18-10-11-19-24(23)32(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-19H;1H/q+1;/p-1.
What are the key properties of [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride?
[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride has a molecular weight of 476.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,2,2,2-pentafluoroethyl)phenyl]-triphenylphosphanium fluoride is sourced from PubChem (CID 160794624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).